Geometry & MOs

Info

ID:	217094
PubChem CID:	85087238
Reduced:	NOSC20H29 (1)
Stoich.:	ABCD20E29 (1)
Weight, g/mol:	332.162374
ΔH_f, kcal/mol:	-23.09
Dipole, Da:	2.29
IP(EA), eV:	-8.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2SNC(CC=C)C3=CC=CC=C3)O)C)C

DOS

IR

Vibrations